1-(2-chloranyl-4,6-dimethyl-phenyl)-3-(pentylcarbamothioylamino)thiourea

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-(pentylcarbamothioylamino)thiourea Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-(pentylcarbamothioylamino)thiourea CAS Name: 1-[[(2-chloro-4,6-dimethylanilino)-sulfanylidenemethyl]amino]-3-pentylthiourea IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-3-(pentylcarbamothioylamino)thiourea Traditional Name: 1-amyl-3-[(2-chloro-4,6-dimethyl-phenyl)thiocarbamoylamino]thiourea Formula: C15H23ClN4S2 MolecularWeight: 358.95292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=S)NC1=C(C=C(C=C1Cl)C)C

Isomeric SMILES

CCCCCNC(=S)NNC(=S)NC1=C(C=C(C=C1Cl)C)C

InChI

InChI=1S/C15H23ClN4S2/c1-4-5-6-7-17-14(21)19-20-15(22)18-13-11(3)8-10(2)9-12(13)16/h8-9H,4-7H2,1-3H3,(H2,17,19,21)(H2,18,20,22)